7-methyl-2-[(2-methylquinolin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(2-methylquinolin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(2-methyl-4-quinolyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(2-methyl-4-quinolinyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(2-methylquinolin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(2-methyl-4-quinolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H18N3OS+ MolecularWeight: 348.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C20H17N3OS/c1-13-7-8-19-22-15(10-20(24)23(19)11-13)12-25-18-9-14(2)21-17-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3/p+1